Basic information
- Standard SMILES
O=c1ccc(=O)n(CCCCBr)[nH]1- InChIKey
CZNIHTRYBWVLRD-UHFFFAOYSA-N- Molecular formula
- C8H11BrN2O2
- Average molar mass
- 247.09 g/mol
- Monoisotopic mass
- 246.00039
Names & identifiers
- Preferred name
- 1-(4-Bromo-1-butyl)-1,2,3,6-tetrahydro-3,6-pyridazinedione
- IUPAC
- 2-(4-bromobutyl)-1H-pyridazine-3,6-dione
Names & synonyms
SCHEMBL10977920CZNIHTRYBWVLRD-UHFFFAOYSA-N1-(4-Bromo-1-butyl)-1,2,3,6-tetrahydro-3,6-pyridazinedione
Database identifiers
- PubChem CID
- 20469770
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 240
Related reactions
5 records
Compound notes
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